SCHEMBL6426477

SCHEMBL6426477

O=C(O)C(CCl)Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.76
▸ CPA1 P15085 7/20 0.66
▸ CPA3 P15088 3/20 0.66
▸ FOLH1 Q04609 3/20 0.66
▸ CPB1 P15086 1/20 0.66
▸ CPB2 Q96IY4 1/20 0.66
▸ SLC1A3 P43003 1/20 0.59
▸ SLC1A2 P43004 1/20 0.59
▸ SLC1A1 P43005 1/20 0.59
▸ MME P08473 1/20 0.56
▸ NAALAD2 Q9Y3Q0 1/20 0.54
▸ ALPI P09923 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ XIAP P98170 1/20 0.53
▸ SLC7A5 Q01650 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9068298 1.00 CYP1A2 (0.76) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL9068183 1.00 CYP1A2 (0.76) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL4664822 0.87 CYP1A2 (1.00) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7432418 0.85 CYP1A2 (0.86) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL9875948 0.85 CYP1A2 (0.95) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL9622038 0.85 CYP1A2 (0.86) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7439697 0.85 CYP1A2 (0.86) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL27291058 0.85 CYP1A2 (0.95) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL22115491 0.85 CYP1A2 (0.95) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL1041958 0.84 CYP1A2 (0.59) CYP1A2CPA1CPA3FOLH1CPB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 — — EP claimed
JP-7316094-A — — None — — JP disclosed
US-20050143593-A1 Process for producing 2-aralkylpropionic acid derivative KANEKA CORPORATION (JP) 2005-06-30 — — US disclosed
EP-1466895-A1 PROCESS FOR PRODUCING 2-ARALKYLPROPIONIC ACID DERIVATIVE KANEKA CORPORATION (JP) 2004-10-13 — — EP disclosed
US-5587510-A ASYMMETRICAL HYDROGENATION USING RUTHENIUM-PHOPSHINE COMPLEX AS CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-12-24 — — US disclosed
JP-H07316094-A (S)-2-ARALKYL-3-CHLOROPROPIONIC ACID AND ITS PRODUCTION TAKASAGO INTERNATL CORP 1995-12-05 — — JP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050143593-A1 Process for producing 2-aralkylpropionic acid derivative AASDHPPT, ADSL, HACL2 CYP1A2 1178/4885CPA1 1876/4885CPA3 2311/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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